Name | Value |
---|---|
InChI=1S/C16H27NO6/c1-10(22-4)16(21,15(2,3)20)14(19)23-9-11-5-7-17-8-6-12(18)13(11)17/h5,10,12-13,18,20-21H,6-9H2,1-4H3/t10-,12-,13+,16-/m0/s1 | |
ZNEMYFCJOCCUJN-VFFTVRQLSA-N | |
C16H27NO6 | |
329.183837584 | |
O=C(OCC1=CCN2CCC(O)C12)C(O)(C(OC)C)C(O)(C)C |
External Identifier | Value |
---|---|
570-19-4 | |
4943 | |
C10301 | |
5462451 | |
4575419 |
Name | Value |
---|---|
NA002922 | |
2020.02.21 | |
Tobias Schulze, Martin Krauss, Helmholtz Centre for Environmental Research GmbH - UFZ, Leipzig, Germany | |
CC0 | |
Copyright (C) 2020 by Helmholtz Centre for Environmental Research GmbH - UFZ, Leipzig, Germany | |
329.1838 | |
LTQ Orbitrap XL Thermo Scientific | |
LC-ESI-ITFT | |
MS2 | |
ESI | |
HCD | |
50% (nominal) | |
15000 | |
Kinetex Evo C18 2.6 um 50 x 2.1 mm | |
95/5 at 0 min, 95/5 at 1 min, 0/100 at 13 min, 0/100 at 24 min, 95/5 at 24.3 min, 95/5/0 at 32 min | |
300 uL/min | |
1.042 min | |
water with 0.1% formic acid | |
methanol with 0.1% formic acid | |
loess on assigned fragments and MS1 | |
Peaks with additional N2/O included | |
RMassBank 2.14.1 | |
positive | |
1.5262348107992092 | |
0.6142020711037253 | |
330.1911 | |
[M+H]+ | |
2.1429529747986584 ppm | |
-7.075839999970412E-4 Da |